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Target
Cathepsin K
Ligand
BDBM50273216
Substrate
n/a
Meas. Tech.
ChEMBL_509760 (CHEMBL997029)
IC50
130±n/a nM
Citation
 Irie, O; Yokokawa, F; Ehara, T; Iwasaki, A; Iwaki, Y; Hitomi, Y; Konishi, K; Kishida, M; Toyao, A; Masuya, K; Gunji, H; Sakaki, J; Iwasaki, G; Hirao, H; Kanazawa, T; Tanabe, K; Kosaka, T; Hart, TW; Hallett, A 4-Amino-2-cyanopyrimidines: novel scaffold for nonpeptidic cathepsin S inhibitors. Bioorg Med Chem Lett 18:4642-6 (2008) [PubMed]  Article 
Target
Name:
Cathepsin K
Synonyms:
CATK_HUMAN | CTSK | CTSO | CTSO2 | Cathepsin O | Cathepsin O2 | Cathepsin X
Type:
Enzyme
Mol. Mass.:
36975.68
Organism:
Homo sapiens (Human)
Description:
P43235
Residue:
329
Sequence:
MWGLKVLLLPVVSFALYPEEILDTHWELWKKTHRKQYNNKVDEISRRLIWEKNLKYISIHNLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPLSHSRSNDTLYIPEWEGRAPDSVDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENDGCGGGYMTNAFQYVQKNRGIDSEDAYPYVGQEESCMYNPTGKAAKCRGYREIPEGNEKALKRAVARVGPVSVAIDASLTSFQFYSKGVYYDESCNSDNLNHAVLAVGYGIQKGNKHWIIKNSWGENWGNKGYILMARNKNNACGIANLASFPKM
  
Inhibitor
Name:
BDBM50273216
Synonyms:
2-cyano-4-((4,4-difluorocyclohexyl)methylamino)-N-phenethylpyrimidine-5-carboxamide | CHEMBL456755
Type:
Small organic molecule
Emp. Form.:
C21H23F2N5O
Mol. Mass.:
399.437
SMILES:
FC1(F)CCC(CNc2nc(ncc2C(=O)NCCc2ccccc2)C#N)CC1
Structure:
Search PDB for entries with ligand similarity: